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c6c0cbcbbe
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revising D2h TBE
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2022-04-08 10:34:38 +02:00 |
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8f4e5df58d
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figure D2h with CCSD
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2022-04-08 09:52:23 +02:00 |
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9d94daaf04
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CCSD D2h
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2022-04-08 09:28:11 +02:00 |
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Pierre-Francois Loos
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b87280dada
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OK for Denis comments
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2022-04-07 22:37:25 +02:00 |
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Pierre-Francois Loos
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13c66deeca
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Denis corrections
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2022-04-07 21:34:35 +02:00 |
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Pierre-Francois Loos
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5288669637
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donw for titou for now
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2022-04-06 18:23:13 +02:00 |
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Pierre-Francois Loos
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68e1741294
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saving work in final reading
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2022-04-06 17:29:03 +02:00 |
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Pierre-Francois Loos
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1ae8c528ff
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rough first draft done
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2022-04-06 14:26:14 +02:00 |
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Pierre-Francois Loos
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6b49657428
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almost done with D4h
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2022-04-06 12:21:30 +02:00 |
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eb5d69eb59
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-06 11:11:02 +02:00 |
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4491dafb82
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new figure2
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2022-04-06 11:10:57 +02:00 |
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Pierre-Francois Loos
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6e8222d205
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D4h SF-TDDFt
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2022-04-06 11:08:41 +02:00 |
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Pierre-Francois Loos
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70478ff3a1
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saving work in D4h
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2022-04-05 22:22:40 +02:00 |
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Pierre-Francois Loos
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660adf0873
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moving stuff in supporting information
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2022-04-05 21:50:31 +02:00 |
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5b83268c83
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-05 16:28:24 +02:00 |
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88c8a727bc
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Piotr reference values
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2022-04-05 16:28:18 +02:00 |
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82b80aec29
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first cleanup of D2h done
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2022-04-05 16:20:43 +02:00 |
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cf15d753d0
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fix bib
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2022-04-05 15:33:24 +02:00 |
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ffb9e30fc2
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crash bib
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2022-04-05 14:33:29 +02:00 |
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25f571e1f4
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resolving issue
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2022-04-05 14:13:03 +02:00 |
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af58b4346d
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saving work in D2h
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2022-04-05 14:10:46 +02:00 |
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ff3edf729d
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AB reference values
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2022-04-05 14:06:01 +02:00 |
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Pierre-Francois Loos
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77fa7f4076
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saving work in D2h
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2022-04-04 22:17:48 +02:00 |
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90770ba4b5
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-04 16:55:08 +02:00 |
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544d2845a7
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updated figures+Ssquare
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2022-04-04 16:54:09 +02:00 |
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0875e53654
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swap lines
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2022-04-04 15:07:43 +02:00 |
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a6d41f6490
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SC-NEVPT2(12,12) figure 2
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2022-04-04 10:01:47 +02:00 |
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691ed04ccf
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SC and PC
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2022-04-04 09:56:20 +02:00 |
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6c31035f65
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updated TBEs
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2022-04-04 08:50:52 +02:00 |
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a2f79e6e52
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figures without MRCI
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2022-04-04 08:42:24 +02:00 |
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065a509078
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figure 2
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2022-04-04 08:39:34 +02:00 |
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Pierre-Francois Loos
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e34ac4f329
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saving work in D2h
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2022-04-02 21:30:39 +02:00 |
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Pierre-Francois Loos
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89a015658f
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new CAS results for (4,4)
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2022-04-02 18:19:41 +02:00 |
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Pierre-Francois Loos
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3e4e572018
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-01 10:32:23 +02:00 |
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Pierre-Francois Loos
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565a3840fc
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almost done with AB
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2022-04-01 10:32:14 +02:00 |
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24d2e83d51
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Supporting
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2022-04-01 10:23:41 +02:00 |
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Pierre-Francois Loos
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38a17f88b7
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-01 10:01:34 +02:00 |
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Pierre-Francois Loos
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5b34269c5e
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saving work in AB
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2022-04-01 10:01:31 +02:00 |
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fd340674e3
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-01 09:30:05 +02:00 |
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6107d8e7f2
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corrections Enzo
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2022-04-01 09:29:50 +02:00 |
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Pierre-Francois Loos
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f65f8ef09d
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saving work in AB
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2022-04-01 09:21:18 +02:00 |
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c1af148d02
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ok up to geom
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2022-03-31 10:52:56 +02:00 |
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9781e3e48e
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AB graph ADC(2.5)
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2022-03-31 08:26:04 +02:00 |
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Pierre-Francois Loos
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0dfa8835b1
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-03-30 22:57:22 +02:00 |
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Pierre-Francois Loos
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a1948cb896
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ok with geometries for now
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2022-03-30 22:57:16 +02:00 |
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6804480ab6
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figures D2h D4h ADC(2.5)
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2022-03-30 17:51:43 +02:00 |
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Pierre-Francois Loos
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e79f2f3d5a
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-03-30 17:30:56 +02:00 |
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Pierre-Francois Loos
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fadde84861
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saving work in geom
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2022-03-30 17:30:50 +02:00 |
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851115daf5
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-03-30 17:26:44 +02:00 |
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dca43cae66
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ADC(2.5) values
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2022-03-30 17:26:40 +02:00 |
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